3-benzyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-6-(piperidin-1-yl)quinazolin-4(3H)-one
Chemical Structure Depiction of
3-benzyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-6-(piperidin-1-yl)quinazolin-4(3H)-one
3-benzyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-6-(piperidin-1-yl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K284-4957 |
| Compound Name: | 3-benzyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-6-(piperidin-1-yl)quinazolin-4(3H)-one |
| Molecular Weight: | 486.59 |
| Molecular Formula: | C27 H26 N4 O3 S |
| Smiles: | C1CCN(CC1)c1ccc2c(c1)C(N(Cc1ccccc1)C(=N2)SCc1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6448 |
| logD: | 5.6448 |
| logSw: | -5.7383 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.605 |
| InChI Key: | ASGRSWGLCCZHNC-UHFFFAOYSA-N |